3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide

C25H26N6O2 — CID 138584879

IUPAC3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide
SMILESCc1nnc(-c2cccc(C(=O)N(c3ccn(-c4ccccc4)n3)C3CCN(C)CC3)c2)o1
InChIInChI=1S/C25H26N6O2/c1-18-26-27-24(33-18)19-7-6-8-20(17-19)25(32)31(22-11-14-29(2)15-12-22)23-13-16-30(28-23)21-9-4-3-5-10-21/h3-10,13,16-17,22H,11-12,14-15H2,1-2H3
InChIKeyBSQJNINZGDYBHE-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.97
Rot. Bonds5

About 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide

3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide (PubChem CID 138584879) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide
PubChem CID138584879
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide
SMILESCc1nnc(-c2cccc(C(=O)N(c3ccn(-c4ccccc4)n3)C3CCN(C)CC3)c2)o1
InChIInChI=1S/C25H26N6O2/c1-18-26-27-24(33-18)19-7-6-8-20(17-19)25(32)31(22-11-14-29(2)15-12-22)23-13-16-30(28-23)21-9-4-3-5-10-21/h3-10,13,16-17,22H,11-12,14-15H2,1-2H3
InChIKeyBSQJNINZGDYBHE-UHFFFAOYSA-N
XLogP3.97
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10577360, Example 51
CID 132010003
US10577360, Example 118
CID 132010092
US10577360, Example 50
CID 132010325
US10577360, Example 44
CID 138584988
US10577360, Example 138
CID 138585047
US10577360, Example 142
CID 132010749
US10577360, Example 140
CID 138584907
US10577360, Example 139
CID 138585168
[2-[[5-(3-Fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 10203024
7-Amino-4-benzyl-10-[2-[4-[2-fluoro-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperazin-1-yl]ethyl]-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-5-one
CID 44217843
N-(4-amino-1-phenylpyrazol-3-yl)-4-[fluoro-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 57541236
N-(4-amino-1-phenylpyrazol-3-yl)-4-[difluoro-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 57541244

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide?
The IUPAC name of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide (CID 138584879) is 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide.
What is the SMILES notation for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide?
The canonical SMILES for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide is Cc1nnc(-c2cccc(C(=O)N(c3ccn(-c4ccccc4)n3)C3CCN(C)CC3)c2)o1.
What is the InChIKey of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide?
The InChIKey is BSQJNINZGDYBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-18-26-27-24(33-18)19-7-6-8-20(17-19)25(32)31(22-11-14-29(2)15-12-22)23-13-16-30(28-23)21-9-4-3-5-10-21/h3-10,13,16-17,22H,11-12,14-15H2,1-2H3.
What are the key properties of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide?
3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide has a molecular weight of 442.52 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide is sourced from PubChem (CID 138584879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).